SCHEMBL8065621

SCHEMBL8065621

O=C(NCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 8/20 0.44
GAA P10253 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7977366 0.88 NPC1 (0.48) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8065540 0.86 NPC1 (0.51) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8077400 0.86 MAPT (0.47) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8075519 0.86 NPC1 (0.49) ALDH1A1KMT2ARAB9ASMN1; SMN2HDAC3
SCHEMBL7976340 0.85 NPC1 (0.45) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL8060916 0.85 HPGD (0.51) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL8065679 0.84 NPC1 (0.56) ALDH1A1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL8060882 0.84 RAB9A (0.50) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7977739 0.84 RHOC (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8067281 0.83 RAB9A (0.41) ALDH1A1RAB9ASMN1; SMN2HDAC3HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed